methyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate

C22H44O3Si — CID 162981873

IUPACmethyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate
SMILESCCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H44O3Si/c1-6-7-8-15-18-21(25-26(3,4)5)19-16-13-11-9-10-12-14-17-20-22(23)24-2/h13,16,21H,6-12,14-15,17-20H2,1-5H3/b16-13-/t21-/m1/s1
InChIKeyFEUQNCSVHBHROZ-QTIWRUEGSA-N
MW384.68 g/mol
LogP7.03
Rot. Bonds17

About methyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate

methyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate (PubChem CID 162981873) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is methyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate.

Molecular Properties

Compound Namemethyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate
PubChem CID162981873
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Namemethyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate
SMILESCCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H44O3Si/c1-6-7-8-15-18-21(25-26(3,4)5)19-16-13-11-9-10-12-14-17-20-22(23)24-2/h13,16,21H,6-12,14-15,17-20H2,1-5H3/b16-13-/t21-/m1/s1
InChIKeyFEUQNCSVHBHROZ-QTIWRUEGSA-N
XLogP7.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl Ricinoleate
CID 5354133
Vernolate
CID 25246088
Methyl acetyl ricinoleate
CID 5354176
Isopropyl Oleate
CID 5356108
Isopropyl Linoleate
CID 5352860
9-Octadecenoic acid, 12-(acetyloxy)-, butyl ester, (9Z,12R)-
CID 5354171
Methyl O-acetylricinoleate
CID 5282107
2-Methoxyethyl (9Z,12R)-12-(acetyloxy)-9-octadecenoate
CID 5354167
Methyl 12-hydroxyoctadec-9-enoate
CID 8841
12-Hydroxy-9-octadecenoic acid methyl ester
CID 6032867
Methyl ricinelaidate
CID 6507945
9,12-Octadecadienoic acid (9Z,12Z)-, 1-methylethyl ester
CID 89882

Frequently Asked Questions

What is the IUPAC name of methyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate?
The IUPAC name of methyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate (CID 162981873) is methyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate.
What is the SMILES notation for methyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate?
The canonical SMILES for methyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate is CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate?
The InChIKey is FEUQNCSVHBHROZ-QTIWRUEGSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-6-7-8-15-18-21(25-26(3,4)5)19-16-13-11-9-10-12-14-17-20-22(23)24-2/h13,16,21H,6-12,14-15,17-20H2,1-5H3/b16-13-/t21-/m1/s1.
What are the key properties of methyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate?
methyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate has a molecular weight of 384.68 g/mol, XLogP of 7.03, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate is sourced from PubChem (CID 162981873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).